ethyl 3-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate

Systemtic Name: ethyl 3-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Openeye Name: ethyl 3-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]benzoate CAS Name: 3-[2-(4,4,7-trimethyl-2,3-dihydro-1-benzothiopyran-6-yl)ethynyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(4,4,7-trimethyl-2,3-dihydrothiochromen-6-yl)ethynyl]benzoate Traditional Name: 3-[2-(4,4,7-trimethylthiochroman-6-yl)ethynyl]benzoic acid ethyl ester Formula: C23H24O2S MolecularWeight: 364.50046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C#CC2=CC3=C(C=C2C)SCCC3(C)C

InChI

InChI=1S/C23H24O2S/c1-5-25-22(24)19-8-6-7-17(14-19)9-10-18-15-20-21(13-16(18)2)26-12-11-23(20,3)4/h6-8,13-15H,5,11-12H2,1-4H3